3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide

C14H18N4O2 — CID 118772365

IUPAC3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCCCOc1cccnc1
InChIInChI=1S/C14H18N4O2/c1-11-13(18(2)10-17-11)14(19)16-7-4-8-20-12-5-3-6-15-9-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,19)
InChIKeyZZXUHCXVGLYRGU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.32
Rot. Bonds6

About 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide

3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide (PubChem CID 118772365) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide
PubChem CID118772365
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide
SMILESCc1ncn(C)c1C(=O)NCCCOc1cccnc1
InChIInChI=1S/C14H18N4O2/c1-11-13(18(2)10-17-11)14(19)16-7-4-8-20-12-5-3-6-15-9-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,19)
InChIKeyZZXUHCXVGLYRGU-UHFFFAOYSA-N
XLogP1.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide (CID 118772365) is 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide is Cc1ncn(C)c1C(=O)NCCCOc1cccnc1.
What is the InChIKey of 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide?
The InChIKey is ZZXUHCXVGLYRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-13(18(2)10-17-11)14(19)16-7-4-8-20-12-5-3-6-15-9-12/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide?
3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyridin-3-yloxypropyl)imidazole-4-carboxamide is sourced from PubChem (CID 118772365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).